1-(2-methyl-4-phenoxyphenyl)-2-piperazin-1-ylpropan-1-one

C20H24N2O2 — CID 82264638

IUPAC1-(2-methyl-4-phenoxyphenyl)-2-piperazin-1-ylpropan-1-one
SMILESCc1cc(Oc2ccccc2)ccc1C(=O)C(C)N1CCNCC1
InChIInChI=1S/C20H24N2O2/c1-15-14-18(24-17-6-4-3-5-7-17)8-9-19(15)20(23)16(2)22-12-10-21-11-13-22/h3-9,14,16,21H,10-13H2,1-2H3
InChIKeyARJYXOIJTKOICZ-UHFFFAOYSA-N
MW324.42 g/mol
LogP3.26
Rot. Bonds5

About 1-(2-methyl-4-phenoxyphenyl)-2-piperazin-1-ylpropan-1-one

1-(2-methyl-4-phenoxyphenyl)-2-piperazin-1-ylpropan-1-one (PubChem CID 82264638) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is 1-(2-methyl-4-phenoxyphenyl)-2-piperazin-1-ylpropan-1-one.

Molecular Properties

Compound Name1-(2-methyl-4-phenoxyphenyl)-2-piperazin-1-ylpropan-1-one
PubChem CID82264638
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name1-(2-methyl-4-phenoxyphenyl)-2-piperazin-1-ylpropan-1-one
SMILESCc1cc(Oc2ccccc2)ccc1C(=O)C(C)N1CCNCC1
InChIInChI=1S/C20H24N2O2/c1-15-14-18(24-17-6-4-3-5-7-17)8-9-19(15)20(23)16(2)22-12-10-21-11-13-22/h3-9,14,16,21H,10-13H2,1-2H3
InChIKeyARJYXOIJTKOICZ-UHFFFAOYSA-N
XLogP3.26
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-naphthalen-2-yl-2-piperazin-1-ylpropan-1-one
CID 116924119
1-(4-phenylmethoxyphenyl)-2-piperazin-1-ylpropan-1-one
CID 82263325
2-methyl-1-(4-phenoxyphenyl)-3-piperazin-1-ylpropan-1-one
CID 82266153
1-(2,4-difluorophenyl)-2-piperazin-1-ylpropan-1-one
CID 62052304
1-(4-methoxy-2,3-dimethylphenyl)-2-piperazin-1-ylpropan-1-one
CID 82266482
1-(5-tert-butyl-2-methylphenyl)-2-piperazin-1-ylpropan-1-one
CID 82266176
1-(4-bromo-3-methylphenyl)-2-piperazin-1-ylpropan-1-one
CID 82264459
2-piperazin-1-yl-1-(2,3,5,6-tetramethylphenyl)propan-1-one
CID 82267292
1-(2-ethyl-4-hydroxyphenyl)-2-piperazin-1-ylpropan-1-one
CID 82267459
1-(4-ethoxy-2,3-dimethylphenyl)-2-piperazin-1-ylpropan-1-one
CID 82266426
1-(2,4-dimethylphenyl)-2-pyrrolidin-1-ylpropan-1-one;hydrochloride
CID 171323393
2-methyl-4-(2-methylphenoxy)benzoic acid
CID 62135465

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-4-phenoxyphenyl)-2-piperazin-1-ylpropan-1-one?
The IUPAC name of 1-(2-methyl-4-phenoxyphenyl)-2-piperazin-1-ylpropan-1-one (CID 82264638) is 1-(2-methyl-4-phenoxyphenyl)-2-piperazin-1-ylpropan-1-one.
What is the SMILES notation for 1-(2-methyl-4-phenoxyphenyl)-2-piperazin-1-ylpropan-1-one?
The canonical SMILES for 1-(2-methyl-4-phenoxyphenyl)-2-piperazin-1-ylpropan-1-one is Cc1cc(Oc2ccccc2)ccc1C(=O)C(C)N1CCNCC1.
What is the InChIKey of 1-(2-methyl-4-phenoxyphenyl)-2-piperazin-1-ylpropan-1-one?
The InChIKey is ARJYXOIJTKOICZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-15-14-18(24-17-6-4-3-5-7-17)8-9-19(15)20(23)16(2)22-12-10-21-11-13-22/h3-9,14,16,21H,10-13H2,1-2H3.
What are the key properties of 1-(2-methyl-4-phenoxyphenyl)-2-piperazin-1-ylpropan-1-one?
1-(2-methyl-4-phenoxyphenyl)-2-piperazin-1-ylpropan-1-one has a molecular weight of 324.42 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-4-phenoxyphenyl)-2-piperazin-1-ylpropan-1-one is sourced from PubChem (CID 82264638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).